| SpectraBase Compound ID | 4RP3mN6thu |
|---|---|
| InChI | InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3 |
| InChIKey | VEYNISLTHXQSGU-UHFFFAOYSA-N |
| Mol Weight | 282.29 g/mol |
| Molecular Formula | C14H18O6 |
| Exact Mass | 282.110338 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8yjIXLED1y8 |
|---|---|
| Name | (3,4,5-Trimethoxybenzoyl)acetic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.110338294 u |
| Formula | C14H18O6 |
| InChI | InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3 |
| InChIKey | VEYNISLTHXQSGU-UHFFFAOYSA-N |
| SMILES | C=1C(=CC(=C(C1OC)OC)OC)C(CC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.883156 |